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Structure paper

TitleDevelopment of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 137, Page 4358-4367, Year 2015
Publish dateMar 27, 2015 (structure data deposition date)
AuthorsLee, C. / Park, H.K. / Jeong, H. / Lim, J. / Lee, A.J. / Cheon, K.Y. / Kim, C.S. / Thomas, A.P. / Bae, B. / Kim, N.D. ...Lee, C. / Park, H.K. / Jeong, H. / Lim, J. / Lee, A.J. / Cheon, K.Y. / Kim, C.S. / Thomas, A.P. / Bae, B. / Kim, N.D. / Kim, S.H. / Suh, P.G. / Ryu, J.H. / Kang, B.H.
External linksJ. Am. Chem. Soc. / PubMed:25785725
MethodsX-ray diffraction
Resolution2.703 - 3.3 Å
Structure data

PDB-4z1f:
Crystal structure of human Trap1 with PU-H71
Method: X-RAY DIFFRACTION / Resolution: 2.703 Å

PDB-4z1g:
Crystal structure of human Trap1 with BIIB-021
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-4z1h:
Crystal structure of human Trap1 with SMTIN-P01
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-4z1i:
Crystal structure of human Trap1 with AMPPNP
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

Chemicals

ChemComp-H71:
8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE

ChemComp-HOH:
WATER

ChemComp-94M:
6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine

ChemComp-4KP:
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

Source
  • homo sapiens (human)
KeywordsCHAPERONE / Mitochondrial Hsp90 / AMPPNP

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